2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine

C9H10ClN5O2S — CID 87622938

IUPAC2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(S(C)(=O)=O)nc(Cl)n2)n[nH]1
InChIInChI=1S/C9H10ClN5O2S/c1-5-3-7(15-14-5)11-6-4-8(18(2,16)17)13-9(10)12-6/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyLWCKHEKLGKYYMD-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine

2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine (PubChem CID 87622938) has the molecular formula C9H10ClN5O2S and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
PubChem CID87622938
Molecular FormulaC9H10ClN5O2S
Molecular Weight287.73 g/mol
Exact Mass287.02
IUPAC Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(S(C)(=O)=O)nc(Cl)n2)n[nH]1
InChIInChI=1S/C9H10ClN5O2S/c1-5-3-7(15-14-5)11-6-4-8(18(2,16)17)13-9(10)12-6/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyLWCKHEKLGKYYMD-UHFFFAOYSA-N
XLogP1.31
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
CID 90161199
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146645356
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
CID 169091811
2-(4-aminophenyl)sulfanyl-6-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87510293
2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 146644992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine (CID 87622938) is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine is Cc1cc(Nc2cc(S(C)(=O)=O)nc(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine?
The InChIKey is LWCKHEKLGKYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S/c1-5-3-7(15-14-5)11-6-4-8(18(2,16)17)13-9(10)12-6/h3-4H,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine?
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 87622938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).